N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-diethoxy-benzamide

Systemtic Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-diethoxy-benzamide CAS Name: 3,5-diethoxy-N-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[[4-(4-butyrylpiperazino)phenyl]thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C26H34N4O4S MolecularWeight: 498.63756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)OCC)OCC

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)OCC)OCC

InChI

InChI=1S/C26H34N4O4S/c1-4-7-24(31)30-14-12-29(13-15-30)21-10-8-20(9-11-21)27-26(35)28-25(32)19-16-22(33-5-2)18-23(17-19)34-6-3/h8-11,16-18H,4-7,12-15H2,1-3H3,(H2,27,28,32,35)